nixpkgs/pkgs/development/python-modules/ase/default.nix
2019-12-30 16:46:39 +01:00

39 lines
759 B
Nix

{ lib
, fetchPypi
, buildPythonPackage
, isPy27
, numpy
, scipy
, matplotlib
, flask
, pillow
, psycopg2
}:
buildPythonPackage rec {
pname = "ase";
version = "3.19.0";
disabled = isPy27;
src = fetchPypi {
inherit pname version;
sha256 = "a8378ab57e91cfe1ba09b3639d8409bb7fc1a40b59479c7822d206e673ad93f9";
};
propagatedBuildInputs = [ numpy scipy matplotlib flask pillow psycopg2 ];
checkPhase = ''
$out/bin/ase test
'';
# tests just hang most likely due to something with subprocesses and cli
doCheck = false;
meta = with lib; {
description = "Atomic Simulation Environment";
homepage = https://wiki.fysik.dtu.dk/ase/;
license = licenses.lgpl21Plus;
maintainers = with maintainers; [ costrouc ];
};
}